Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9059855744-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 51 USD | 95 | 9 working days | Get Quote |
| 5 mg | 120 USD | 95 | 9 working days | Get Quote |
| 10 mg | 175 USD | 95 | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-9059855744-0.sdf |
| SMILES | MCULE-9059855744-0.smiles |
| Standard InChI | MCULE-9059855744-0.inchi |
| InChIKey | MCULE-9059855744-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886725674 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-892786623 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893605709 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 995 mg |
| P-888307859 | AmBeed | In stock | N/A | As is | in stock |
| P-605394452 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889779554 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-890240046 | BLD pharm | In-stock building blocks | 98 | As is | 248 mg |
| P-893630861 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-873252087 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854714677 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584615263 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888170302 | Molnova | On demand | 98 | As is | by synthesis |
| P-869117939 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892288700 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888633076 | TargetMol | Screening Compounds - stock amount | 95 | As is | 202 mg |
| P-868535235 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 648.778 |
| logP | 3.6149 |
| H-bond acceptors | 13 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 143.28 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 190.1012 |
| Atoms | 86 |
| Rings | 6 |
| Heavy atoms | 46 |
| Hydrogen atoms | 40 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
